ChemSpider 2D Image | Methyl 3-(4,5-diacetoxy-2-methoxyphenyl)-6-methoxy-7-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate | C26H26O12

Methyl 3-(4,5-diacetoxy-2-methoxyphenyl)-6-methoxy-7-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID8068886

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Benzodioxin-2-carboxylic acid, 3-[4,5-bis(acetyloxy)-2-methoxyphenyl]-2,3-dihydro-6-methoxy-7-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-, methyl ester [ACD/Index Name]
3-(4,5-Diacétoxy-2-méthoxyphényl)-6-méthoxy-7-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4,5-diacetoxy-2-methoxyphenyl)-6-methoxy-7-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-(4,5-diacetoxy-2-methoxyphenyl)-6-methoxy-7-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxin-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 273.2±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.50
ACD/KOC (pH 5.5): 438.93
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 438.93
Polar Surface Area: 142 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

Click to predict properties on the Chemicalize site


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